element(s):
['Co', 'Fe']
AFLOW prototype label:
AB3_tP4_123_a_ce
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1168', '0.73625146']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Fe', 'Fe']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]]
spacegroup =  123
cell =  [[4.1168, 0, 0], [0, 4.1168, 0], [0, 0, 3.031]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:56:43       -6.799054         1.169481
BFGS:    1 16:56:43       -6.852839         1.094532
BFGS:    2 16:56:44       -6.987947         0.820200
BFGS:    3 16:56:45       -7.074874         0.452821
BFGS:    4 16:56:45       -7.099428         0.215131
BFGS:    5 16:56:46       -7.100625         0.120859
BFGS:    6 16:56:47       -7.101015         0.119188
BFGS:    7 16:56:47       -7.105612         0.237781
BFGS:    8 16:56:48       -7.125515         0.188467
BFGS:    9 16:56:48       -7.144837         0.209840
BFGS:   10 16:56:49       -7.168585         0.261481
BFGS:   11 16:56:50       -7.194703         0.303982
BFGS:   12 16:56:50       -7.223606         0.342545
BFGS:   13 16:56:51       -7.254170         0.368050
BFGS:   14 16:56:51       -7.285876         0.383225
BFGS:   15 16:56:52       -7.317647         0.383973
BFGS:   16 16:56:52       -7.348570         0.371528
BFGS:   17 16:56:53       -7.377666         0.348291
BFGS:   18 16:56:53       -7.403772         0.312330
BFGS:   19 16:56:54       -7.425958         0.264125
BFGS:   20 16:56:54       -7.443287         0.202567
BFGS:   21 16:56:55       -7.455024         0.127982
BFGS:   22 16:56:55       -7.460601         0.040015
BFGS:   23 16:56:56       -7.461046         0.004008
BFGS:   24 16:56:56       -7.461049         0.001122
BFGS:   25 16:56:57       -7.461049         0.000575
BFGS:   26 16:56:58       -7.461049         0.000009
BFGS:   27 16:56:58       -7.461049         0.000001
BFGS:   28 16:56:59       -7.461049         0.000000
Minimization converged after 28 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0650468883505082e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 1.73677091e-33]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[3.5485254756470734, -8.777793701065874e-35, -2.908992825193137e-32], [-1.3272550536081363e-34, 3.548525475647076, -4.754931428695533e-17], [-1.3820436913628813e-32, -4.0438548896219504e-17, 3.548525475509591]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.06504689e-10  1.06504689e-10  7.23663634e-11  3.56023840e-26
 -1.22358633e-34 -3.24428454e-50]
energy per atom =  -1.8652621604514141
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB3_tP4_123_a_ce, while relaxed is AB3_cP4_221_a_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.